1-[(3-dodecoxyphenyl)methyl]-3-methyl-1-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide

Systemtic Name: 1-[(3-dodecoxyphenyl)methyl]-3-methyl-1-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-[(3-dodecoxyphenyl)methyl]-3-methyl-1-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-[(3-dodecoxyphenyl)methyl]-3-methyl-1-[4-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-[(3-dodecoxyphenyl)methyl]-3-methyl-1-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(3-lauryloxybenzyl)-3-methyl-1-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C31H44BrN3O2S MolecularWeight: 602.66896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)NC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)NC.[Br-]

InChI

InChI=1S/C31H43N3O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-21-36-30-15-13-14-28(23-30)25-34(31(35)32-2)29-18-16-27(17-19-29)24-33-20-22-37-26-33;/h13-20,22-23,26H,3-12,21,24-25H2,1-2H3;1H